# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  Li2O4W

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B4C_aP28_2_4i_8i_2i-001

# Last updated on 2024/08/01

data_Li8O16W4
_pd_phase_name Li8O16W4
_cell_length_a  5.2745000000
_cell_length_b  7.7769000000
_cell_length_c  7.9731000000
_cell_angle_alpha  105.8350000000
_cell_angle_beta  103.3910000000
_cell_angle_gamma  90.5810000000
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Li1 1.0000000000 0.8990000000 0.6450000000 0.0730000000  Biso 1.0 Li 2 i
Li2 1.0000000000 0.2960000000 0.7870000000 0.9760000000  Biso 1.0 Li 2 i
Li3 1.0000000000 0.7580000000 0.9530000000 0.4030000000  Biso 1.0 Li 2 i
Li4 1.0000000000 0.9000000000 0.3270000000 0.4700000000  Biso 1.0 Li 2 i
O10 1.0000000000 0.5790000000 0.2178000000 0.5197000000  Biso 1.0 O 2 i
O11 1.0000000000 0.4086000000 0.6644000000 0.7613000000  Biso 1.0 O 2 i
O12 1.0000000000 0.7432000000 0.5656000000 0.5831000000  Biso 1.0 O 2 i
O5 1.0000000000 0.9190000000 0.8013000000 0.9313000000  Biso 1.0 O 2 i
O6 1.0000000000 0.7370000000 0.4184000000 0.8803000000  Biso 1.0 O 2 i
O7 1.0000000000 0.2110000000 0.3232000000 0.7123000000  Biso 1.0 O 2 i
O8 1.0000000000 0.9370000000 0.9103000000 0.6318000000  Biso 1.0 O 2 i
O9 1.0000000000 0.5360000000 0.0192000000 0.8150000000  Biso 1.0 O 2 i
W13 1.0000000000 0.4986800000 0.4208900000 0.6849400000  Biso 1.0 W 2 i
W14 1.0000000000 0.7085800000 0.8294400000 0.7349200000  Biso 1.0 W 2 i
